ethyl 6-{[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]methyl}-1-methyl-4-(3-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-{[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]methyl}-1-methyl-4-(3-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-{[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]methyl}-1-methyl-4-(3-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V019-5618 |
| Compound Name: | ethyl 6-{[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]methyl}-1-methyl-4-(3-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 482.62 |
| Molecular Formula: | C27 H38 N4 O4 |
| Smiles: | CCOC(C1C(c2cccc(C)c2)NC(N(C)C=1CN1CCCN(CC1)C(C1CCCC1)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3561 |
| logD: | 1.0804 |
| logSw: | -3.3559 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.868 |
| InChI Key: | YVNIWXUKPHQVMQ-XMMPIXPASA-N |